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	hartrees
Energy at 0K	-636.746773
Energy at 298.15K	-636.749066
HF Energy	-635.888266
Nuclear repulsion energy	146.043769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3134	4.24
2	A'	3249	3091	9.53
3	A'	1724	1640	61.60
4	A'	1367	1301	22.65
5	A'	1266	1205	33.66
6	A'	1089	1036	82.13
7	A'	834	793	17.06
8	A'	674	641	18.65
9	A'	196	186	1.46
10	A"	902	858	0.60
11	A"	771	733	43.70
12	A"	468	445	6.87

Atom	x (Å)	y (Å)
C1	0.000	0.862
C2	1.245	0.412
Cl3	-1.370	-0.157
F4	1.544	-0.884
H5	-0.180	1.920
H6	2.101	1.063

	C1	C2	Cl3	F4	H5	H6
C1		1.3237	1.7076	2.3309	1.0724	2.1105
C2	1.3237		2.6759	1.3304	2.0743	1.0752
Cl3	1.7076	2.6759		3.0027	2.3933	3.6789
F4	2.3309	1.3304	3.0027		3.2913	2.0250
H5	1.0724	2.0743	2.3933	3.2913		2.4369
H6	2.1105	1.0752	3.6789	2.0250	2.4369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.860	C1	C2	H6	122.898
C2	C1	Cl3	123.458	C2	C1	H5	119.558
Cl3	C1	H5	116.985	F4	C2	H6	114.242

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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